(4R)-4-cyano-4-methyl-N-[[2-(6-morpholin-4-yl-2-pyridinyl)-1,6-naphthyridin-7-yl]methyl]-1,3-dihydroisochromene-6-carboxamide

C30H28N6O3 — CID 168723825

IUPAC(4R)-4-cyano-4-methyl-N-[[2-(6-morpholin-4-yl-2-pyridinyl)-1,6-naphthyridin-7-yl]methyl]-1,3-dihydroisochromene-6-carboxamide
SMILESC[C@@]1(C#N)COCc2ccc(C(=O)NCc3cc4nc(-c5cccc(N6CCOCC6)n5)ccc4cn3)cc21
InChIInChI=1S/C30H28N6O3/c1-30(18-31)19-39-17-22-6-5-20(13-24(22)30)29(37)33-16-23-14-27-21(15-32-23)7-8-26(34-27)25-3-2-4-28(35-25)36-9-11-38-12-10-36/h2-8,13-15H,9-12,16-17,19H2,1H3,(H,33,37)/t30-/m1/s1
InChIKeyGZWYEHGAKDXWTQ-SSEXGKCCSA-N
MW520.59 g/mol
LogP3.77
Rot. Bonds5

About (4R)-4-cyano-4-methyl-N-[[2-(6-morpholin-4-yl-2-pyridinyl)-1,6-naphthyridin-7-yl]methyl]-1,3-dihydroisochromene-6-carboxamide

(4R)-4-cyano-4-methyl-N-[[2-(6-morpholin-4-yl-2-pyridinyl)-1,6-naphthyridin-7-yl]methyl]-1,3-dihydroisochromene-6-carboxamide (PubChem CID 168723825) has the molecular formula C30H28N6O3 and a molecular weight of 520.59 g/mol. Its IUPAC name is (4R)-4-cyano-4-methyl-N-[[2-(6-morpholin-4-yl-2-pyridinyl)-1,6-naphthyridin-7-yl]methyl]-1,3-dihydroisochromene-6-carboxamide.

Molecular Properties

Compound Name(4R)-4-cyano-4-methyl-N-[[2-(6-morpholin-4-yl-2-pyridinyl)-1,6-naphthyridin-7-yl]methyl]-1,3-dihydroisochromene-6-carboxamide
PubChem CID168723825
Molecular FormulaC30H28N6O3
Molecular Weight520.59 g/mol
Exact Mass520.22
IUPAC Name(4R)-4-cyano-4-methyl-N-[[2-(6-morpholin-4-yl-2-pyridinyl)-1,6-naphthyridin-7-yl]methyl]-1,3-dihydroisochromene-6-carboxamide
SMILESC[C@@]1(C#N)COCc2ccc(C(=O)NCc3cc4nc(-c5cccc(N6CCOCC6)n5)ccc4cn3)cc21
InChIInChI=1S/C30H28N6O3/c1-30(18-31)19-39-17-22-6-5-20(13-24(22)30)29(37)33-16-23-14-27-21(15-32-23)7-8-26(34-27)25-3-2-4-28(35-25)36-9-11-38-12-10-36/h2-8,13-15H,9-12,16-17,19H2,1H3,(H,33,37)/t30-/m1/s1
InChIKeyGZWYEHGAKDXWTQ-SSEXGKCCSA-N
XLogP3.77
TPSA113.26 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.59
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (4R)-4-cyano-4-methyl-N-[[2-(6-morpholin-4-yl-2-pyridinyl)-1,6-naphthyridin-7-yl]methyl]-1,3-dihydroisochromene-6-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

2-Methoxy-5-[4-[3-(morpholine-4-carbonyl)anilino]quinazolin-6-yl]pyridine-3-carbonitrile
CID 137650563
US10125118, Example 406
CID 126644591
US11866436, Example 153
CID 164915303
Methyl 1-(3,3-dimethyl-N-(4-(6-methylpyridin-3-yl)benzyl)butanamido)isoquinoline-6-carboxylate
CID 126718748
N-[[3-[2-(azetidin-1-yl)-3-fluoro-4-pyridinyl]-1,7-naphthyridin-6-yl]methyl]-4-cyano-3,4-dihydro-1H-isochromene-6-carboxamide
CID 156818835
N-[(Z)-2-[(E)-[(4Z)-1-[2-(azetidin-1-yl)-3-fluoro-4-pyridinyl]-4-ethylidenepiperidin-3-ylidene]methyl]pent-2-enyl]-4-cyano-3,4-dihydro-1H-isochromene-6-carboxamide
CID 156818841
(4S)-4-fluoro-4-methyl-N-[(2-phenyl-1,6-naphthyridin-7-yl)methyl]-1,3-dihydroisochromene-6-carboxamide
CID 156818878
(4R)-4-cyano-N-[[4-[1-[6-(difluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-2-pyridinyl]methyl]-4-methyl-1,3-dihydroisochromene-6-carboxamide
CID 156818893
(4R)-4-cyano-N-[[2-(4-fluoropyrazol-1-yl)-1,6-naphthyridin-7-yl]methyl]-4-methyl-1,3-dihydroisochromene-6-carboxamide
CID 156818911
CID 156819180
CID 156819180
(4R)-4-cyano-N-[[2-(4-fluoro-3-methylpyrazol-1-yl)-1,6-naphthyridin-7-yl]methyl]-4-methyl-1,3-dihydroisochromene-6-carboxamide
CID 156819247
(4R)-4-cyano-N-[[2-[(3Z,5Z)-5-fluoro-6-methoxyhepta-1,3,5-trien-4-yl]-1,6-naphthyridin-7-yl]methyl]-3,4-dihydro-1H-isochromene-6-carboxamide
CID 156819298

Frequently Asked Questions

What is the IUPAC name of (4R)-4-cyano-4-methyl-N-[[2-(6-morpholin-4-yl-2-pyridinyl)-1,6-naphthyridin-7-yl]methyl]-1,3-dihydroisochromene-6-carboxamide?
The IUPAC name of (4R)-4-cyano-4-methyl-N-[[2-(6-morpholin-4-yl-2-pyridinyl)-1,6-naphthyridin-7-yl]methyl]-1,3-dihydroisochromene-6-carboxamide (CID 168723825) is (4R)-4-cyano-4-methyl-N-[[2-(6-morpholin-4-yl-2-pyridinyl)-1,6-naphthyridin-7-yl]methyl]-1,3-dihydroisochromene-6-carboxamide.
What is the SMILES notation for (4R)-4-cyano-4-methyl-N-[[2-(6-morpholin-4-yl-2-pyridinyl)-1,6-naphthyridin-7-yl]methyl]-1,3-dihydroisochromene-6-carboxamide?
The canonical SMILES for (4R)-4-cyano-4-methyl-N-[[2-(6-morpholin-4-yl-2-pyridinyl)-1,6-naphthyridin-7-yl]methyl]-1,3-dihydroisochromene-6-carboxamide is C[C@@]1(C#N)COCc2ccc(C(=O)NCc3cc4nc(-c5cccc(N6CCOCC6)n5)ccc4cn3)cc21.
What is the InChIKey of (4R)-4-cyano-4-methyl-N-[[2-(6-morpholin-4-yl-2-pyridinyl)-1,6-naphthyridin-7-yl]methyl]-1,3-dihydroisochromene-6-carboxamide?
The InChIKey is GZWYEHGAKDXWTQ-SSEXGKCCSA-N. The full InChI is InChI=1S/C30H28N6O3/c1-30(18-31)19-39-17-22-6-5-20(13-24(22)30)29(37)33-16-23-14-27-21(15-32-23)7-8-26(34-27)25-3-2-4-28(35-25)36-9-11-38-12-10-36/h2-8,13-15H,9-12,16-17,19H2,1H3,(H,33,37)/t30-/m1/s1.
What are the key properties of (4R)-4-cyano-4-methyl-N-[[2-(6-morpholin-4-yl-2-pyridinyl)-1,6-naphthyridin-7-yl]methyl]-1,3-dihydroisochromene-6-carboxamide?
(4R)-4-cyano-4-methyl-N-[[2-(6-morpholin-4-yl-2-pyridinyl)-1,6-naphthyridin-7-yl]methyl]-1,3-dihydroisochromene-6-carboxamide has a molecular weight of 520.59 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-cyano-4-methyl-N-[[2-(6-morpholin-4-yl-2-pyridinyl)-1,6-naphthyridin-7-yl]methyl]-1,3-dihydroisochromene-6-carboxamide is sourced from PubChem (CID 168723825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).